2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide

C10H17N5O2 — CID 103221101

IUPAC2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H17N5O2/c1-2-12-9(16)7-15-10(17)5-8(6-14-15)13-4-3-11/h5-6,13H,2-4,7,11H2,1H3,(H,12,16)
InChIKeyFHVWBOGETINZDB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.25
Rot. Bonds6

About 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide

2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 103221101) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
PubChem CID103221101
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1ncc(NCCN)cc1=O
InChIInChI=1S/C10H17N5O2/c1-2-12-9(16)7-15-10(17)5-8(6-14-15)13-4-3-11/h5-6,13H,2-4,7,11H2,1H3,(H,12,16)
InChIKeyFHVWBOGETINZDB-UHFFFAOYSA-N
XLogP-1.25
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220247
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
5-(2-aminoethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103221159
5-(2-aminoethylamino)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103221065
5-(2-aminoethylamino)-2-[(1-ethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103221289
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
5-(2-aminoethylamino)-2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridazin-3-one
CID 103221302
5-(2-aminoethylamino)-2-(pyrimidin-2-ylmethyl)pyridazin-3-one
CID 103221268
5-(2-aminoethylamino)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103220996
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
5-(2-aminoethylamino)-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103221139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 103221101) is 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1ncc(NCCN)cc1=O.
What is the InChIKey of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide?
The InChIKey is FHVWBOGETINZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-12-9(16)7-15-10(17)5-8(6-14-15)13-4-3-11/h5-6,13H,2-4,7,11H2,1H3,(H,12,16).
What are the key properties of 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide?
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 239.28 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 103221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).